1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea

C13H25N5O — CID 56795480

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C13H25N5O/c1-5-11(6-2)14-13(19)15-12-7-8-18(16-12)10-9-17(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H2,14,15,16,19)
InChIKeyGAKDFINSVHIAEO-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.75
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea (PubChem CID 56795480) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
PubChem CID56795480
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C13H25N5O/c1-5-11(6-2)14-13(19)15-12-7-8-18(16-12)10-9-17(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H2,14,15,16,19)
InChIKeyGAKDFINSVHIAEO-UHFFFAOYSA-N
XLogP1.75
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea (CID 56795480) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1ccn(CCN(C)C)n1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea?
The InChIKey is GAKDFINSVHIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-11(6-2)14-13(19)15-12-7-8-18(16-12)10-9-17(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H2,14,15,16,19).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea has a molecular weight of 267.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea is sourced from PubChem (CID 56795480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).